0 mol 6 unq 0 iso 0 dist 9.38351 14.255 9.56016 16.6659 8.15992 9.20957 numMergedOcc 0
1 mol 33 unq 0 iso 0 dist 8.41842 11.8297 7.82815 3.93232 6.53195 9.67688 numMergedOcc 0
2 mol 53 unq 0 iso 0 dist 6.64564 5.71432 7.86285 3.86331 9.52717 7.02963 numMergedOcc 0
3 mol 68 unq 0 iso 0 dist 5.73908 10.6719 8.52421 7.27578 5.26566 3.73169 numMergedOcc 0
4 mol 68 unq 1 iso 0 dist 5.73908 10.6719 8.52421 5.66182 6.27118 7.15831 numMergedOcc 0
5 mol 73 unq 0 iso 0 dist 8.09675 10.2047 7.69222 11.1342 9.85386 13.815 numMergedOcc 0
6 mol 73 unq 1 iso 0 dist 8.09675 10.2047 7.69222 8.22845 4.8983 11.9118 numMergedOcc 0
7 mol 73 unq 2 iso 0 dist 8.09675 10.8441 5.82056 11.1342 9.85386 13.7005 numMergedOcc 0
8 mol 73 unq 3 iso 0 dist 8.09675 10.8441 5.82056 8.22845 4.8983 10.0644 numMergedOcc 0
9 mol 73 unq 4 iso 0 dist 8.09675 15.2203 9.09115 11.1342 9.85386 17.9011 numMergedOcc 0
10 mol 73 unq 5 iso 0 dist 8.09675 15.2203 9.09115 8.22845 4.8983 12.1501 numMergedOcc 0
11 mol 73 unq 6 iso 0 dist 9.02753 14.0199 7.69222 10.0544 9.85386 13.815 numMergedOcc 0
12 mol 73 unq 7 iso 0 dist 9.02753 14.0199 7.69222 6.96897 4.8983 11.9118 numMergedOcc 0
13 mol 73 unq 8 iso 0 dist 9.02753 13.7625 5.82056 10.0544 9.85386 13.7005 numMergedOcc 0
14 mol 73 unq 9 iso 0 dist 9.02753 13.7625 5.82056 6.96897 4.8983 10.0644 numMergedOcc 0
15 mol 73 unq 10 iso 0 dist 9.02753 17.5374 9.09115 10.0544 9.85386 17.9011 numMergedOcc 0
16 mol 73 unq 11 iso 0 dist 9.02753 17.5374 9.09115 6.96897 4.8983 12.1501 numMergedOcc 0
17 mol 129 unq 0 iso 0 dist 7.13958 9.63308 9.31543 3.54691 4.4077 9.74071 numMergedOcc 0
18 mol 129 unq 1 iso 0 dist 7.13958 9.63308 9.31543 5.56761 8.4874 6.92699 numMergedOcc 0
19 mol 129 unq 2 iso 0 dist 7.13958 9.05571 8.85652 3.54691 4.4077 9.87781 numMergedOcc 0
20 mol 129 unq 3 iso 0 dist 7.13958 9.05571 8.85652 5.56761 8.4874 9.93375 numMergedOcc 0
21 mol 186 unq 0 iso 0 dist 5.31333 9.03587 5.27578 12.2056 8.99777 12.7357 numMergedOcc 0
22 mol 186 unq 1 iso 0 dist 5.83898 10.2261 9.77333 3.85596 5.97886 9.18271 numMergedOcc 0
23 mol 192 unq 0 iso 0 dist 8.86627 9.82173 5.77035 9.70184 5.03588 3.41605 numMergedOcc 0
24 mol 192 unq 1 iso 0 dist 9.10569 9.52963 5.77035 8.12818 5.03588 3.41605 numMergedOcc 0
25 mol 204 unq 0 iso 0 dist 8.40718 12.5259 5.81438 16.6893 8.77524 5.80328 numMergedOcc 0
26 mol 211 unq 0 iso 0 dist 9.26542 7.47487 8.25586 6.3032 5.49212 3.50404 numMergedOcc 0
27 mol 211 unq 1 iso 0 dist 9.26542 7.47487 8.25586 6.17106 9.79135 6.21723 numMergedOcc 0
28 mol 217 unq 0 iso 0 dist 8.72578 3.59923 6.58871 8.03625 7.94351 8.82823 numMergedOcc 0
29 mol 219 unq 0 iso 0 dist 7.26376 8.72864 8.3704 5.23281 8.58891 6.69913 numMergedOcc 0
30 mol 225 unq 0 iso 0 dist 7.47852 11.1052 8.94981 11.337 7.78392 16.3069 numMergedOcc 0
31 mol 225 unq 1 iso 0 dist 7.47852 3.60045 5.90986 11.337 7.78392 12.113 numMergedOcc 0
32 mol 225 unq 2 iso 0 dist 7.47852 10.6169 7.50697 11.337 7.78392 5.31124 numMergedOcc 0
33 mol 225 unq 3 iso 0 dist 6.22332 13.5289 8.94981 7.99586 7.78392 16.3069 numMergedOcc 0
34 mol 225 unq 4 iso 0 dist 6.22332 6.40342 5.90986 7.99586 7.78392 12.113 numMergedOcc 0
35 mol 225 unq 5 iso 0 dist 6.22332 9.92088 7.50697 7.99586 7.78392 5.31124 numMergedOcc 0
36 mol 252 unq 0 iso 0 dist 8.99368 8.19502 9.52528 10.0331 8.99666 15.3449 numMergedOcc 0
37 mol 253 unq 0 iso 0 dist 8.32005 8.84052 8.59229 7.03949 6.74521 3.92688 numMergedOcc 0
38 mol 253 unq 1 iso 0 dist 8.32005 3.97177 7.33165 7.03949 6.74521 3.21986 numMergedOcc 0
39 mol 253 unq 2 iso 0 dist 8.32005 10.8314 9.66967 7.03949 6.74521 4.47943 numMergedOcc 0
40 mol 258 unq 0 iso 0 dist 9.46746 9.21014 9.81589 3.78294 9.48672 5.80505 numMergedOcc 0
41 mol 258 unq 1 iso 0 dist 7.31698 4.58093 9.81589 5.23608 9.48672 5.80505 numMergedOcc 0
42 mol 272 unq 0 iso 0 dist 7.38085 3.7218 5.38409 3.64298 9.87477 6.69425 numMergedOcc 0
43 mol 273 unq 0 iso 0 dist 9.80002 10.6534 8.66133 14.1095 8.13393 9.06868 numMergedOcc 0
44 mol 273 unq 1 iso 0 dist 9.80002 15.8245 6.95569 14.1095 8.13393 11.8515 numMergedOcc 0
45 mol 273 unq 2 iso 0 dist 6.73794 3.80794 8.66133 10.5232 8.13393 9.06868 numMergedOcc 0
46 mol 273 unq 3 iso 0 dist 6.73794 13.255 6.95569 10.5232 8.13393 11.8515 numMergedOcc 0
47 mol 277 unq 0 iso 0 dist 6.70414 12.2421 9.91103 7.31817 4.1545 5.9732 numMergedOcc 0
48 mol 277 unq 1 iso 0 dist 6.70414 12.2421 9.91103 3.91224 4.25172 8.61922 numMergedOcc 0
49 mol 277 unq 2 iso 0 dist 6.70414 10.9521 7.0603 7.31817 4.1545 3.79766 numMergedOcc 0
50 mol 277 unq 3 iso 0 dist 6.70414 10.9521 7.0603 3.91224 4.25172 7.07613 numMergedOcc 0
51 mol 283 unq 0 iso 0 dist 8.89292 3.72864 7.18295 6.39025 5.38739 3.08947 numMergedOcc 0
52 mol 285 unq 0 iso 0 dist 5.76796 9.11313 5.49829 10.1123 7.08681 8.34667 numMergedOcc 0
53 mol 285 unq 1 iso 0 dist 5.76796 9.11313 5.49829 7.01472 4.95596 8.31211 numMergedOcc 0
54 mol 285 unq 2 iso 0 dist 5.76796 9.11313 5.49829 11.0045 6.3508 8.08247 numMergedOcc 0
55 mol 285 unq 3 iso 0 dist 5.76796 9.11313 5.49829 8.2602 8.3005 7.23311 numMergedOcc 0
56 mol 285 unq 4 iso 0 dist 5.76796 6.01574 6.24134 10.1123 7.08681 4.98469 numMergedOcc 0
57 mol 285 unq 5 iso 0 dist 5.76796 6.01574 6.24134 7.01472 4.95596 10.5542 numMergedOcc 0
58 mol 285 unq 6 iso 0 dist 5.76796 6.01574 6.24134 11.0045 6.3508 12.5361 numMergedOcc 0
59 mol 285 unq 7 iso 0 dist 5.76796 6.01574 6.24134 8.2602 8.3005 11.9464 numMergedOcc 0
60 mol 286 unq 0 iso 0 dist 8.97304 9.05338 6.64391 6.60143 8.08382 5.83399 numMergedOcc 0
61 mol 287 unq 0 iso 0 dist 7.47179 9.23896 6.06665 5.42266 8.73403 8.63376 numMergedOcc 0
62 mol 287 unq 1 iso 0 dist 6.76192 5.64662 7.19568 11.7613 9.31611 8.54063 numMergedOcc 0
63 mol 288 unq 0 iso 0 dist 7.47179 9.23896 6.06665 5.42266 8.73403 8.63376 numMergedOcc 0
64 mol 288 unq 1 iso 0 dist 6.76192 5.64662 7.19568 11.7613 9.31611 8.54063 numMergedOcc 0
65 mol 289 unq 0 iso 0 dist 7.47179 9.23896 6.06665 5.42266 8.73403 8.63376 numMergedOcc 0
66 mol 289 unq 1 iso 0 dist 6.76192 5.64662 7.19568 11.7613 9.31611 8.54063 numMergedOcc 0
